MCULE-8689210797
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 24 USD | 98 | 24 working days | Get Quote |
5 mg | 24 USD | 98 | 24 working days | Get Quote |
10 mg | 24 USD | 98 | 24 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-8689210797.sdf |
SMILES | MCULE-8689210797.smiles |
Standard InChI | MCULE-8689210797.inchi |
InChIKey | MCULE-8689210797.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886626016 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889933316 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-34893799 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851616994 | AmBeed | On request | N/A | As is | by synthesis |
P-872723588 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-611046869 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-901466114 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-449231149 | ChemDiv | Discovery Chemistry Library | 90 | As is | 37 mg |
P-494300527 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
P-870646410 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870647393 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-492237285 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-524167739 | Key Organics | Building Blocks | 98 | As is | 25 g |
P-856006192 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
P-31252560 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-895552553 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19721669 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885546759 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-22532044 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-855222184 | Toronto Research | In stock | 90 | As is | in stock |
P-2509642 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 130 mg |
P-893880122 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 251.235 |
logP | 1.1253 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 7 |
PSA | 103.7 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 62.2098 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 13 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |